[WIP] [ITensors] add kwarg to truncate! to return RankFactorization.Spectru…

[NuclearPowerNerd]

Description

The purpose of this commit is to allow the truncation error from an operation to be returned. This is the first step envisioned for that functionality.

The spectrum and truncation error from calling svd() on ITensors is not accessible from calls to truncate! and truncate. This allows the Spectrum type (which contains the spectrum and the error) to be optionally returned. This required importing RankFactorization.Spectrum in ITensors (so an added import in imports.jl) and then slightly refactoring the definition of truncate! and truncate.

This commit makes a named tuple with each element being "bond_n" where n is 1 to N-1 bonds and each element of the named tuple corresponds to the Spectrum returned from the call to svd as the bonds are swept over during the call to truncate.

All tests were run with 92979 passing and 73 broken. Total tests were 93052.

Implements ITensor/ITensorMPS.jl#96

If practical and applicable, please include a minimal demonstration of the previous behavior and new behavior below.

Minimal demonstration of previous behavior

truncate!(m, maxdim=10)
# or
m = truncate!(m, maxdim=10)

Minimal demonstration of new behavior

m, spec = truncate!(m, maxdim=10, return_spectrum=true)
spec.bond_1.eigs  # inspect square of singular values
spec.bond_1.truncerr # inspect truncation error

Additional Remark

I limited the scope of these changes to just truncate! and truncate. But looking forward, it would be nice to be able to get truncation error returned for any operation. For example, something like this

m, spec = contract(M, a, alg="densitymatrix", maxdim=5, return_spectrum=true)

I wasn't sure if those changes should be implemented as part of this pull request or be made in a separate pull request. So I'd appreciate feedback on what the preference there is.

How Has This Been Tested?

I verified its behavior in the MWE above. If I need to add a dedicated test let me know. I didn't see an existing one for truncate! in /ITensors.jl/src/lib/ITensorMPS/test/base/.

Checklist:

• My code follows the style guidelines of this project. Please run using JuliaFormatter; format(".") in the base directory of the repository (~/.julia/dev/ITensors) to format your code according to our style guidelines.
• I have performed a self-review of my own code.
• I have commented my code, particularly in hard-to-understand areas.
• I have added tests that verify the behavior of the changes I made.
• I have made corresponding changes to the documentation.
• My changes generate no new warnings.
• Any dependent changes have been merged and published in downstream modules.

[NuclearPowerNerd]

Minor comment I just realized. The documentation needs to be clarified from ...and then inspect the singular values and ... to ...and then inspect the square of the singular values and ....

[mtfishman]

I don't have time to review right now, but I don't like this interface, @emstoudenmire we should discuss before merging.

[NuclearPowerNerd]

I don't have time to review right now, but I don't like this interface, @emstoudenmire we should discuss before merging.

Thanks for the quick response Matt. When you do have time, I'd be interested in understanding why you don't like it and how I could improve it.

[mtfishman]

I'll close this because it would need to be implemented in ITensorMPS.jl and the design is being discussed in ITensor/ITensorMPS.jl#96.